Geometry & MOs

Info

ID:	205079
PubChem CID:	80052289
Reduced:	FN2O2H9C14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	228.172545
ΔH_f, kcal/mol:	-38.19
Dipole, Da:	5.62
IP(EA), eV:	-9.23(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-hydroxy-3-methylcyclopentyl)hexanoate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CN2C3=C(C=CC=C3F)C(=O)C2=O

DOS

IR

Vibrations